methyl 4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate

C11H11NO4 — CID 59153391

IUPACmethyl 4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate
SMILESCOC(=O)c1cccc2c1OCC(=O)N2C
InChIInChI=1S/C11H11NO4/c1-12-8-5-3-4-7(11(14)15-2)10(8)16-6-9(12)13/h3-5H,6H2,1-2H3
InChIKeyUVYQPYVFLNZDDX-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.83
Rot. Bonds1

About methyl 4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate

methyl 4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate (PubChem CID 59153391) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is methyl 4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate
PubChem CID59153391
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Namemethyl 4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate
SMILESCOC(=O)c1cccc2c1OCC(=O)N2C
InChIInChI=1S/C11H11NO4/c1-12-8-5-3-4-7(11(14)15-2)10(8)16-6-9(12)13/h3-5H,6H2,1-2H3
InChIKeyUVYQPYVFLNZDDX-UHFFFAOYSA-N
XLogP0.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-8-carboxamide
CID 110701662
N-cyclohexyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 110701671
N-cycloheptyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 110701727
N-(4-fluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 110701760
4-methyl-3-oxo-N-(4-propan-2-ylphenyl)-1,4-benzoxazine-8-carboxamide
CID 110701754
N-(3-chlorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 110701762
2,6-dimethoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
CID 110291846
8-fluoro-4-methyl-1,4-benzoxazin-3-one
CID 66697398
methyl 3-(aminomethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate
CID 84628331
9-acetyl-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82230846
methyl 3-(2-aminoethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate
CID 84633746
3,6-dichloro-2-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
CID 110291854

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate?
The IUPAC name of methyl 4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate (CID 59153391) is methyl 4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate?
The canonical SMILES for methyl 4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate is COC(=O)c1cccc2c1OCC(=O)N2C.
What is the InChIKey of methyl 4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate?
The InChIKey is UVYQPYVFLNZDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-12-8-5-3-4-7(11(14)15-2)10(8)16-6-9(12)13/h3-5H,6H2,1-2H3.
What are the key properties of methyl 4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate?
methyl 4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate has a molecular weight of 221.21 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate is sourced from PubChem (CID 59153391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).